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Posted: **Thu Nov 30, 2006 4:24 pm**

I am unsuccessfully compiling parallel VASP on an AMD Opteron with the following software:

RedHat Linux ELAS 4.0, update 4 (64-bit)
VASP 4.6
Portland pgf90 6.0-8 64-bit
mpich2-1.0.4p1
fftw-3.1.2
GotoBLAS-1.09

I've compiled VASP for non-parallel execution and it works fine. I've also made sure that MPICH2 works.

When I compile VASP I get the following errors when it tries to build fftmpi_map.o:

./preprocess <fftmpi_map.F | /usr/bin/cpp -P -C -traditional >fftmpi_map.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=8000 -DPGF90 -Davoidalloc
mpif90 -Mfree -tp k8-64 -i8 -O3 -c fftmpi_map.f90

PGF90-S-0142-node_me is not a member of this RECORD (fftmpi_map.f90: 77)
PGF90-S-0142-ionode is not a member of this RECORD (fftmpi_map.f90: 78)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 97)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 119)
PGF90-S-0142-mpi_comm is not a member of this RECORD (fftmpi_map.f90: 142)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 229)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 245)
0 inform, 0 warnings, 7 severes, 0 fatal for mapset
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 327)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 335)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 339)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 344)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 352)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 356)
0 inform, 0 warnings, 6 severes, 0 fatal for map_forward
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 383)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 390)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 394)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 404)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 411)
0 inform, 0 warnings, 5 severes, 0 fatal for map_backward
make: *** [fftmpi_map.o] Error 2

*******************

Makefile Changes:

FC=mpif90

BLAS= /usr/local/lib/libgoto_opteronp-r1.09.so

FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a

*******************

I can include the entire Makefile is it would be useful.

I'm searched forum and the web and have been able to find any clues as to what is happening. I would appreciate any help or ideas.

Jess
<span class='smallblacktext'>[ Edited ]</span>

Posted: **Fri Dec 01, 2006 12:22 pm**

please use the appropriate precompiler options for generating a parallel executable: have a look in your makefile: -DMPI has to be set in any case, -DNGXhalf has to be replaced by -DNGZhalf

Posted: **Fri Dec 01, 2006 2:24 pm**

I feel like an idiot.

Thank you for catching the fact that I forgot to uncomment the cpp lines underneath the MPI section. Uncommenting out those lines allowed it to compile correctly.

Thank you.
Jess

Posted: **Thu Dec 07, 2006 10:25 am**

no problem, happens to all of us now and then!

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VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

VASP 4.6 Parallel Compile Fails (fftmpi_map.o)